ethyl 5-aminocarbonyl-2-[2-(3-ethanoylpyridin-1-ium-1-yl)ethanoylamino]-4-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 5-aminocarbonyl-2-[2-(3-ethanoylpyridin-1-ium-1-yl)ethanoylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(3-acetylpyridin-1-ium-1-yl)acetyl]amino]-5-carbamoyl-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-(3-acetyl-1-pyridin-1-iumyl)-1-oxoethyl]amino]-5-carbamoyl-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(3-acetylpyridin-1-ium-1-yl)acetyl]amino]-5-carbamoyl-4-methylthiophene-3-carboxylate Traditional Name: 2-[[2-(3-acetylpyridin-1-ium-1-yl)acetyl]amino]-5-carbamoyl-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C18H20N3O5S+ MolecularWeight: 390.4335

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)C[N+]2=CC=CC(=C2)C(=O)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)C[N+]2=CC=CC(=C2)C(=O)C

InChI

InChI=1S/C18H19N3O5S/c1-4-26-18(25)14-10(2)15(16(19)24)27-17(14)20-13(23)9-21-7-5-6-12(8-21)11(3)22/h5-8H,4,9H2,1-3H3,(H2-,19,20,23,24,25)/p+1